SCHEMBL936478

SCHEMBL936478

CN1CCN(c2ccc(-c3cc(-c4cc(C(=O)NCC#N)ccc4O)no3)cc2Cl)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 7/20 0.60
PAK1 Q13153 1/20 0.43
JAK2 O60674 3/20 0.41
JAK3 P52333 3/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1D P28221 2/20 0.38
WDR5 P61964 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
KDM1A O60341 1/20 0.38
HDAC1 Q13547 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A4 P31645 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6923773 0.87 PRKD1 (0.78) PRKD1PAK1JAK2WDR5KDM1A
SCHEMBL935479 0.76 PRKD1 (0.79) PRKD1PAK1NPC1RAB9AWDR5
SCHEMBL6923791 0.76 PRKD1 (0.95) PRKD1JAK2JAK3CTSLCTSB
SCHEMBL936515 0.75 PRKD1 (1.00) PRKD1JAK2JAK3CTSLCTSB
SCHEMBL936000 0.72 PRKD1 (0.78) PRKD1PAK1JAK2JAK3
SCHEMBL936340 0.72 PRKD1 (0.83) PRKD1PAK1
SCHEMBL961783 0.72 PRKD1 (0.60) PRKD1NPC1RAB9AWDR5
SCHEMBL961784 0.72 PRKD1 (0.60) PRKD1NPC1RAB9AWDR5
SCHEMBL6923549 0.71 PRKD1 (0.54) PRKD1PAK1NPC1RAB9ASMN1; SMN2
SCHEMBL958407 0.71 PRKD1 (0.72) PRKD1JAK2JAK3CTSLCTSB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011009484-A1 ARYLPYRAZOLES AND ARYLISOXAZOLES AND THEIR USE AS PKD MODULATORS NOVARTIS AG (CH) 2011-01-27 WO disclosed
WO-2011009484-A1 ARYLPYRAZOLES AND ARYLISOXAZOLES AND THEIR USE AS PKD MODULATORS NOVARTIS AG (CH) 2011-01-27 WO disclosed